A0A096LT61_POEFO Loading...

Neurobeachin-like 1

AlphaFold DB , UniProt , Accession A0A096LT61, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 90 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47.4Very low73.8Confident238 Ų23891.4 Ų91.4100%1.17244%0.441SS*.  0102.80-65.4179.2174.400106.7S3M1-S3 PolarHBondContact O-N 2.71Å
2A53.4Low74.8Confident42 Ų4290.3 Ų90.335%0.34744%0.436SS..  trans-70.9116.5173.400000107.4I29A2-I29 HydrophobicContact CB-CG2 3.49Å; A2-I29 VanDerWaalsContact CB-CG2 3.49Å
3S66.3Low75.8Confident69 Ų6987.8 Ų87.848%0.48343%0.426SS..  trans-58144.1176.215.60000109.9M1 E5 R6M1-S3 PolarHBondContact O-N 2.71Å; S3-E5 PolarHBondContact O-N 3.49Å; S3-R6 VanDerWaalsContact O-CB 3.31Å; S3-R6 WeakPolarHBondContact O-CB 3.32Å; S3-R6 PolarHBondContact O-N 3.12Å
4N67.9Low76.4Confident77 Ų7786.2 Ų86.241%0.41241%0.414SS..Hα-helixtrans-51.7-29.2178.6-70.8-57.4000113.3R6 L7 Y8 V55N4-R6 VanDerWaalsContact C-N 3.28Å; N4-R6 PolarHBondContact O-N 3.25Å; N4-L7 PolarHBondContact O-N 3.46Å; N4-Y8 PolarHBondContact O-N 2.93Å; N4-V55 HydrophobicContact CB-CG1 4.15Å; N4-V55 VanDerWaalsContact CG-CG1 3.49Å
5E76.8Confident76.8Confident144 Ų14484.9 Ų84.967%0.67342%0.416SS*.Hα-helixtrans-56.5-40.4172.8-62.3172.3135.300112.4S3 L7 Y8 E9S3-E5 PolarHBondContact O-N 3.49Å; E5-L7 VanDerWaalsContact C-N 3.34Å; E5-L7 PolarHBondContact O-N 3.05Å; E5-Y8 PolarHBondContact O-N 3.46Å; E5-E9 WeakPolarHBondContact O-CG 3.41Å; E5-E9 PolarHBondContact O-N 2.87Å
6R82.8Confident77.4Confident115 Ų11586.7 Ų86.743%0.43443%0.434SS..Hα-helixtrans-67.4-37.8-179.3-173.458.7177.4175.2-0.9112S3 N4 Y8 E9 V10 I29S3-R6 VanDerWaalsContact O-CB 3.31Å; S3-R6 WeakPolarHBondContact O-CB 3.32Å; S3-R6 PolarHBondContact O-N 3.12Å; N4-R6 VanDerWaalsContact C-N 3.28Å; N4-R6 PolarHBondContact O-N 3.25Å; R6-Y8 VanDerWaalsContact C-N 3.31Å; R6-E9 WeakPolarHBondContact CD-OE2 3.34Å; R6-E9 IonicContact CZ-OE2 3.86Å; R6-E9 IonicContact NH1-OE2 2.86Å; R6-E9 PolarHBondContact NH1-OE2 3.26Å; R6-E9 PolarHBondContact O-N 2.92Å; R6-V10 HydrophobicContact CG-CG2 4.48Å; R6-V10 VanDerWaalsContact O-CG2 3.25Å; R6-V10 WeakPolarHBondContact O-CG2 3.4Å; R6-V10 PolarHBondContact O-N 2.92Å; R6-I29 HydrophobicContact CG-CD1 3.92Å
7L80.2Confident78Confident13 Ų1389.2 Ų89.27%0.06844%0.442CS..Hα-helixtrans-64.1-41.3177.2-163.6146.3000110.4N4 E5 W11 W26 I29 F30 Y34 L59N4-L7 PolarHBondContact O-N 3.46Å; E5-L7 VanDerWaalsContact C-N 3.34Å; E5-L7 PolarHBondContact O-N 3.05Å; L7-W11 WeakPolarHBondContact O-CB 3.43Å; L7-W11 PolarHBondContact O-N 3.32Å; L7-W26 HydrophobicContact CD2-CZ2 3.97Å; L7-W26 PolarHBondContact O-NE1 3.3Å; L7-I29 HydrophobicContact CB-CG2 4.3Å; L7-I29 HydrophobicContact CD1-CG2 4.18Å; L7-I29 HydrophobicContact CG-CG2 4.5Å; L7-F30 HydrophobicContact CD1-CB 3.94Å; L7-F30 HydrophobicContact CD1-CD2 3.98Å; L7-F30 HydrophobicContact CD1-CG 4.46Å; L7-Y34 HydrophobicContact CD1-CE2 4.26Å; L7-L59 HydrophobicContact CD2-CD1 3.96Å
8Y80.9Confident78.2Confident143 Ų14395.9 Ų95.956%0.56146%0.461SS*.Hα-helixtrans-67.6-43.9175.1-174.4-103.6000113.1N4 E5 R6 V10 W11 M12N4-Y8 PolarHBondContact O-N 2.93Å; E5-Y8 PolarHBondContact O-N 3.46Å; R6-Y8 VanDerWaalsContact C-N 3.31Å; Y8-V10 VanDerWaalsContact C-N 3.34Å; Y8-V10 PolarHBondContact O-N 3.48Å; Y8-W11 WeakPolarHBondContact O-CB 3.43Å; Y8-W11 PolarHBondContact O-N 3.35Å; Y8-M12 HydrophobicContact CD1-CE 3.56Å; Y8-M12 HydrophobicContact CD1-CG 4.22Å; Y8-M12 HydrophobicContact CD1-SD 3.98Å; Y8-M12 HydrophobicContact CE1-CE 3.37Å; Y8-M12 HydrophobicContact CE1-CG 3.81Å; Y8-M12 HydrophobicContact CE1-SD 3.23Å; Y8-M12 WeakPolarHBondContact CE1-SD 3.27Å; Y8-M12 HydrophobicContact CE2-CG 4.39Å; Y8-M12 WeakPolarHBondContact O-CG 3.45Å; Y8-M12 PolarHBondContact O-N 2.87Å
9E86.6Confident78.5Confident88 Ų8893.9 Ų93.941%0.41145%0.453SS..Hα-helixtrans-55.4-49175.2-77.2176.4-179.100112.1E5 R6 W11 M12 L13E5-E9 WeakPolarHBondContact O-CG 3.41Å; E5-E9 PolarHBondContact O-N 2.87Å; R6-E9 WeakPolarHBondContact CD-OE2 3.34Å; R6-E9 IonicContact CZ-OE2 3.86Å; R6-E9 IonicContact NH1-OE2 2.86Å; R6-E9 PolarHBondContact NH1-OE2 3.26Å; R6-E9 PolarHBondContact O-N 2.92Å; E9-W11 VanDerWaalsContact C-N 3.33Å; E9-M12 PolarHBondContact O-N 3.27Å; E9-L13 WeakPolarHBondContact O-CG 3.42Å; E9-L13 PolarHBondContact O-N 3.24Å
10V86.6Confident78.6Confident2 Ų293.9 Ų93.91%0.01246%0.461CS..Hα-helixtrans-68.9-35.7-178.3-177.60000110.6R6 Y8 L13 Y14 Y22 I25 W26 I29R6-V10 HydrophobicContact CG-CG2 4.48Å; R6-V10 VanDerWaalsContact O-CG2 3.25Å; R6-V10 WeakPolarHBondContact O-CG2 3.4Å; R6-V10 PolarHBondContact O-N 2.92Å; Y8-V10 VanDerWaalsContact C-N 3.34Å; Y8-V10 PolarHBondContact O-N 3.48Å; V10-L13 PolarHBondContact O-N 3.33Å; V10-Y14 PolarHBondContact O-N 2.87Å; V10-Y22 HydrophobicContact CG1-CD1 4.5Å; V10-Y22 WeakPolarHBondContact CG1-O 3.18Å; V10-I25 HydrophobicContact CG1-CB 4.11Å; V10-I25 HydrophobicContact CG1-CG2 4Å; V10-I25 HydrophobicContact CG2-CG2 4.15Å; V10-W26 HydrophobicContact CB-CB 4.41Å; V10-W26 HydrophobicContact CG1-CB 3.8Å; V10-I29 HydrophobicContact CG2-CD1 4.2Å
11W83.4Confident79Confident74 Ų7494.3 Ų94.328%0.2847%0.465SS..Hα-helixtrans-61-47.4172.2-176.4-106.8000112.1L7 Y8 E9 L13 Y14 C15 F23 W26L7-W11 WeakPolarHBondContact O-CB 3.43Å; L7-W11 PolarHBondContact O-N 3.32Å; Y8-W11 WeakPolarHBondContact O-CB 3.43Å; Y8-W11 PolarHBondContact O-N 3.35Å; E9-W11 VanDerWaalsContact C-N 3.33Å; W11-L13 VanDerWaalsContact C-N 3.31Å; W11-L13 PolarHBondContact O-N 3.48Å; W11-Y14 HydrophobicContact CE3-CD1 4.24Å; W11-Y14 HydrophobicContact CH2-CD1 4.39Å; W11-Y14 HydrophobicContact CH2-CE1 4.43Å; W11-Y14 HydrophobicContact CZ3-CD1 4.04Å; W11-Y14 HydrophobicContact CZ3-CE1 4.35Å; W11-Y14 WeakPolarHBondContact O-CB 3.2Å; W11-Y14 PolarHBondContact O-N 3.5Å; W11-Y14 VanDerWaalsContact O-N 3.17Å; W11-C15 PolarHBondContact O-N 2.91Å; W11-C15 PolarHBondContact O-SG 3.21Å; W11-C15 VanDerWaalsContact O-SG 3.36Å; W11-F23 HydrophobicContact CZ3-CD2 4.38Å; W11-F23 HydrophobicContact CZ3-CE2 4.34Å; W11-W26 HydrophobicContact CE3-CD2 4.07Å; W11-W26 AromaticContact CE3-CE2 3.81Å; W11-W26 HydrophobicContact CE3-CG 4.29Å; W11-W26 HydrophobicContact CE3-CZ2 4.23Å; W11-W26 AromaticContact CE3-NE1 3.83Å
12M84.9Confident80.8Confident78 Ų7885.7 Ų85.738%0.38442%0.42SS..Hα-helixtrans-61.6-39.5175.7-73.1-166.1-63.200112.2Y8 E9 Y14 C15 T16Y8-M12 HydrophobicContact CD1-CE 3.56Å; Y8-M12 HydrophobicContact CD1-CG 4.22Å; Y8-M12 HydrophobicContact CD1-SD 3.98Å; Y8-M12 HydrophobicContact CE1-CE 3.37Å; Y8-M12 HydrophobicContact CE1-CG 3.81Å; Y8-M12 HydrophobicContact CE1-SD 3.23Å; Y8-M12 WeakPolarHBondContact CE1-SD 3.27Å; Y8-M12 HydrophobicContact CE2-CG 4.39Å; Y8-M12 WeakPolarHBondContact O-CG 3.45Å; Y8-M12 PolarHBondContact O-N 2.87Å; E9-M12 PolarHBondContact O-N 3.27Å; M12-Y14 VanDerWaalsContact C-N 3.33Å; M12-C15 PolarHBondContact O-N 3.41Å; M12-T16 VanDerWaalsContact O-CB 3.3Å; M12-T16 WeakPolarHBondContact O-CB 3.47Å; M12-T16 PolarHBondContact O-N 2.96Å; M12-T16 PolarHBondContact O-OG1 3.5Å
13L87.6Confident82.2Confident58 Ų5885.2 Ų85.230%0.30441%0.41SS..Hα-helixtrans-62.3-41.5174.7-74.9169.8000111.4E9 V10 W11 T16 K17 Y22E9-L13 WeakPolarHBondContact O-CG 3.42Å; E9-L13 PolarHBondContact O-N 3.24Å; V10-L13 PolarHBondContact O-N 3.33Å; W11-L13 VanDerWaalsContact C-N 3.31Å; W11-L13 PolarHBondContact O-N 3.48Å; L13-T16 PolarHBondContact O-N 3.47Å; L13-K17 WeakPolarHBondContact O-CB 3.28Å; L13-K17 PolarHBondContact O-N 3.47Å; L13-Y22 HydrophobicContact CB-CD1 3.95Å; L13-Y22 HydrophobicContact CB-CD2 4.1Å; L13-Y22 HydrophobicContact CB-CE1 4.22Å; L13-Y22 HydrophobicContact CB-CE2 4.41Å; L13-Y22 HydrophobicContact CB-CG 3.91Å; L13-Y22 HydrophobicContact CD1-CD1 4.12Å; L13-Y22 HydrophobicContact CD1-CE1 3.93Å
14Y84.5Confident83.1Confident66 Ų6687.7 Ų87.726%0.25941%0.412SS..Hα-helixtrans-61.4-49.3171.9171.8-111.7000111.6V10 W11 M12 T16 R18 D19 F23V10-Y14 PolarHBondContact O-N 2.87Å; W11-Y14 HydrophobicContact CE3-CD1 4.24Å; W11-Y14 HydrophobicContact CH2-CD1 4.39Å; W11-Y14 HydrophobicContact CH2-CE1 4.43Å; W11-Y14 HydrophobicContact CZ3-CD1 4.04Å; W11-Y14 HydrophobicContact CZ3-CE1 4.35Å; W11-Y14 WeakPolarHBondContact O-CB 3.2Å; W11-Y14 PolarHBondContact O-N 3.5Å; W11-Y14 VanDerWaalsContact O-N 3.17Å; M12-Y14 VanDerWaalsContact C-N 3.33Å; Y14-T16 VanDerWaalsContact C-N 3.26Å; Y14-T16 PolarHBondContact O-N 3.26Å; Y14-R18 WeakPolarHBondContact O-CA 3.48Å; Y14-R18 PolarHBondContact O-N 3.31Å; Y14-D19 WeakPolarHBondContact CD2-O 3.36Å; Y14-F23 HydrophobicContact CD1-CD2 4.43Å; Y14-F23 HydrophobicContact CD2-CB 3.67Å; Y14-F23 HydrophobicContact CE1-CD2 4.36Å; Y14-F23 HydrophobicContact CE2-CB 3.81Å; Y14-F23 HydrophobicContact CE2-CG 4.38Å; Y14-F23 HydrophobicContact CG-CB 4.14Å
15C82Confident84.1Confident66 Ų6687.2 Ų87.245%0.44641%0.409SS..Hα-helixtrans-60-37.4178.2-660000112.7W11 M12W11-C15 PolarHBondContact O-N 2.91Å; W11-C15 PolarHBondContact O-SG 3.21Å; W11-C15 VanDerWaalsContact O-SG 3.36Å; M12-C15 PolarHBondContact O-N 3.41Å
16T87.3Confident84.5Confident114 Ų11480.4 Ų80.470%0.69938%0.377SS*.Hα-helixtrans-77.8-46.5-176.9-55.40000112.1M12 L13 Y14M12-T16 VanDerWaalsContact O-CB 3.3Å; M12-T16 WeakPolarHBondContact O-CB 3.47Å; M12-T16 PolarHBondContact O-N 2.96Å; M12-T16 PolarHBondContact O-OG1 3.5Å; L13-T16 PolarHBondContact O-N 3.47Å; Y14-T16 VanDerWaalsContact C-N 3.26Å; Y14-T16 PolarHBondContact O-N 3.26Å
17K87.3Confident84.5Confident129 Ų12976.5 Ų76.556%0.56137%0.365SS*.Hα-helixtrans-97.3-16.6-173.1-60-147.1-174.7171.20113.9L13 D19 Y22L13-K17 WeakPolarHBondContact O-CB 3.28Å; L13-K17 PolarHBondContact O-N 3.47Å; K17-D19 HydrophobicContact CB-CB 4.28Å; K17-D19 PolarHBondContact O-N 2.86Å; K17-D19 VanDerWaalsContact O-N 3.12Å; K17-Y22 HydrophobicContact CB-CD2 4.3Å; K17-Y22 HydrophobicContact CB-CE2 4.03Å; K17-Y22 HydrophobicContact CD-CE2 3.87Å; K17-Y22 HydrophobicContact CG-CE2 4.23Å
18R80.9Confident84.7Confident211 Ų21181.3 Ų81.380%0.79639%0.387SS*.  trans51.628.4-174.2-61.1-176.4177.1-174.8-2.3113.4Y14Y14-R18 WeakPolarHBondContact O-CA 3.48Å; Y14-R18 PolarHBondContact O-N 3.31Å
19D84Confident84.8Confident57 Ų5775.7 Ų75.731%0.30537%0.366SS..  trans-88.9121.8-178.1-175.6-23.6000109.4Y14 K17 D21 Y22Y14-D19 WeakPolarHBondContact CD2-O 3.36Å; K17-D19 HydrophobicContact CB-CB 4.28Å; K17-D19 PolarHBondContact O-N 2.86Å; K17-D19 VanDerWaalsContact O-N 3.12Å; D19-D21 PolarHBondContact O-N 2.87Å; D19-D21 WeakPolarHBondContact OD1-CB 3.37Å; D19-D21 PolarHBondContact OD1-N 2.96Å; D19-Y22 HydrophobicContact CB-CD2 3.7Å; D19-Y22 HydrophobicContact CB-CE2 3.95Å; D19-Y22 PolarHBondContact O-N 3.4Å
20P80.4Confident84.5Confident93 Ų9371.6 Ų71.660%0.60435%0.347SS*.Hα-helixtrans-61.3-21.4-179.526.5-35.5000113.6Y22 F23 K24P20-Y22 VanDerWaalsContact C-N 3.35Å; P20-F23 WeakPolarHBondContact O-CB 3.24Å; P20-F23 PolarHBondContact O-N 3.33Å; P20-K24 PolarHBondContact O-N 2.85Å
21D87.3Confident84.1Confident104 Ų10474.8 Ų74.856%0.55636%0.363SS*.Hα-helixtrans-65.9-37.9176.4-74.9-35.4000111.5D19 F23 K24 I25D19-D21 PolarHBondContact O-N 2.87Å; D19-D21 WeakPolarHBondContact OD1-CB 3.37Å; D19-D21 PolarHBondContact OD1-N 2.96Å; D21-F23 VanDerWaalsContact C-N 3.32Å; D21-F23 PolarHBondContact O-N 3.47Å; D21-K24 PolarHBondContact O-N 3.36Å; D21-I25 WeakPolarHBondContact O-CD1 3.35Å; D21-I25 VanDerWaalsContact O-CG1 3.26Å; D21-I25 WeakPolarHBondContact O-CG1 3.3Å; D21-I25 PolarHBondContact O-N 3.41Å
22Y86.3Confident83.8Confident57 Ų5774.8 Ų74.822%0.22437%0.374CS..Hα-helixtrans-66.7-37.5172.8-65.8-59.1000111.4V10 L13 K17 D19 P20 K24 I25 W26V10-Y22 HydrophobicContact CG1-CD1 4.5Å; V10-Y22 WeakPolarHBondContact CG1-O 3.18Å; L13-Y22 HydrophobicContact CB-CD1 3.95Å; L13-Y22 HydrophobicContact CB-CD2 4.1Å; L13-Y22 HydrophobicContact CB-CE1 4.22Å; L13-Y22 HydrophobicContact CB-CE2 4.41Å; L13-Y22 HydrophobicContact CB-CG 3.91Å; L13-Y22 HydrophobicContact CD1-CD1 4.12Å; L13-Y22 HydrophobicContact CD1-CE1 3.93Å; K17-Y22 HydrophobicContact CB-CD2 4.3Å; K17-Y22 HydrophobicContact CB-CE2 4.03Å; K17-Y22 HydrophobicContact CD-CE2 3.87Å; K17-Y22 HydrophobicContact CG-CE2 4.23Å; D19-Y22 HydrophobicContact CB-CD2 3.7Å; D19-Y22 HydrophobicContact CB-CE2 3.95Å; D19-Y22 PolarHBondContact O-N 3.4Å; P20-Y22 VanDerWaalsContact C-N 3.35Å; Y22-K24 VanDerWaalsContact C-N 3.32Å; Y22-K24 PolarHBondContact O-N 2.87Å; Y22-I25 PolarHBondContact O-N 3.31Å; Y22-W26 VanDerWaalsContact O-CB 3.3Å; Y22-W26 WeakPolarHBondContact O-CB 3.38Å; Y22-W26 PolarHBondContact O-N 2.83Å
23F83.2Confident83.3Confident31 Ų3173.3 Ų73.314%0.13637%0.372CS..Hα-helixtrans-64.5-38.7176.2-177.9-110.7000112W11 Y14 P20 D21 W26 L27 L67W11-F23 HydrophobicContact CZ3-CD2 4.38Å; W11-F23 HydrophobicContact CZ3-CE2 4.34Å; Y14-F23 HydrophobicContact CD1-CD2 4.43Å; Y14-F23 HydrophobicContact CD2-CB 3.67Å; Y14-F23 HydrophobicContact CE1-CD2 4.36Å; Y14-F23 HydrophobicContact CE2-CB 3.81Å; Y14-F23 HydrophobicContact CE2-CG 4.38Å; Y14-F23 HydrophobicContact CG-CB 4.14Å; P20-F23 WeakPolarHBondContact O-CB 3.24Å; P20-F23 PolarHBondContact O-N 3.33Å; D21-F23 VanDerWaalsContact C-N 3.32Å; D21-F23 PolarHBondContact O-N 3.47Å; F23-W26 HydrophobicContact CD2-CE3 4.43Å; F23-W26 HydrophobicContact CE2-CE3 4.01Å; F23-W26 HydrophobicContact CE2-CZ3 4.3Å; F23-W26 WeakPolarHBondContact O-CB 3.49Å; F23-W26 PolarHBondContact O-N 2.94Å; F23-L27 HydrophobicContact CD1-CD1 4Å; F23-L27 HydrophobicContact CE1-CD1 3.34Å; F23-L27 HydrophobicContact CE1-CG 4.09Å; F23-L27 HydrophobicContact CE2-CD1 4.42Å; F23-L27 HydrophobicContact CE2-CG 4.31Å; F23-L27 HydrophobicContact CZ-CD1 3.54Å; F23-L27 HydrophobicContact CZ-CD2 4.41Å; F23-L27 HydrophobicContact CZ-CG 3.83Å; F23-L27 WeakPolarHBondContact O-CB 3.42Å; F23-L27 PolarHBondContact O-N 2.88Å; F23-L67 HydrophobicContact CE1-CD2 4.24Å; F23-L67 HydrophobicContact CE2-CD1 4.07Å; F23-L67 HydrophobicContact CE2-CD2 3.68Å; F23-L67 HydrophobicContact CE2-CG 4.49Å; F23-L67 HydrophobicContact CZ-CD1 3.74Å; F23-L67 HydrophobicContact CZ-CD2 3.22Å; F23-L67 HydrophobicContact CZ-CG 4Å
24K84.4Confident82.6Confident121 Ų12171.3 Ų71.353%0.52636%0.36SS..Hα-helixtrans-63.1-46.8173.7-172.7-178.9177-174.40112P20 D21 Y22 W26 L27 E28P20-K24 PolarHBondContact O-N 2.85Å; D21-K24 PolarHBondContact O-N 3.36Å; Y22-K24 VanDerWaalsContact C-N 3.32Å; Y22-K24 PolarHBondContact O-N 2.87Å; K24-W26 VanDerWaalsContact C-N 3.3Å; K24-W26 PolarHBondContact O-N 3.44Å; K24-L27 WeakPolarHBondContact O-CB 3.45Å; K24-L27 PolarHBondContact O-N 2.92Å; K24-E28 WeakPolarHBondContact CE-OE1 3.42Å; K24-E28 WeakPolarHBondContact O-CG 3.19Å; K24-E28 PolarHBondContact O-N 3.28Å
25I88.1Confident81.8Confident68 Ų6874.3 Ų74.335%0.34938%0.377SS..Hα-helixtrans-61.6-42176.5-66.7164000110.5V10 D21 Y22 L27 E28 I29V10-I25 HydrophobicContact CG1-CB 4.11Å; V10-I25 HydrophobicContact CG1-CG2 4Å; V10-I25 HydrophobicContact CG2-CG2 4.15Å; D21-I25 WeakPolarHBondContact O-CD1 3.35Å; D21-I25 VanDerWaalsContact O-CG1 3.26Å; D21-I25 WeakPolarHBondContact O-CG1 3.3Å; D21-I25 PolarHBondContact O-N 3.41Å; Y22-I25 PolarHBondContact O-N 3.31Å; I25-L27 VanDerWaalsContact C-N 3.33Å; I25-L27 PolarHBondContact O-N 2.96Å; I25-E28 PolarHBondContact O-N 2.87Å; I25-I29 HydrophobicContact CG2-CD1 3.7Å; I25-I29 HydrophobicContact CG2-CG1 4.44Å; I25-I29 WeakPolarHBondContact O-CB 3.46Å; I25-I29 WeakPolarHBondContact O-CD1 3.4Å; I25-I29 WeakPolarHBondContact O-CG1 3.32Å; I25-I29 PolarHBondContact O-N 2.92Å
26W86.8Confident81Confident0 Ų080.2 Ų80.20%040%0.398CS..Hα-helixtrans-59.4-45.4176.1-178.489.8000111.4L7 V10 W11 Y22 F23 K24 I29 F30 L59 I63 L67L7-W26 HydrophobicContact CD2-CZ2 3.97Å; L7-W26 PolarHBondContact O-NE1 3.3Å; V10-W26 HydrophobicContact CB-CB 4.41Å; V10-W26 HydrophobicContact CG1-CB 3.8Å; W11-W26 HydrophobicContact CE3-CD2 4.07Å; W11-W26 AromaticContact CE3-CE2 3.81Å; W11-W26 HydrophobicContact CE3-CG 4.29Å; W11-W26 HydrophobicContact CE3-CZ2 4.23Å; W11-W26 AromaticContact CE3-NE1 3.83Å; Y22-W26 VanDerWaalsContact O-CB 3.3Å; Y22-W26 WeakPolarHBondContact O-CB 3.38Å; Y22-W26 PolarHBondContact O-N 2.83Å; F23-W26 HydrophobicContact CD2-CE3 4.43Å; F23-W26 HydrophobicContact CE2-CE3 4.01Å; F23-W26 HydrophobicContact CE2-CZ3 4.3Å; F23-W26 WeakPolarHBondContact O-CB 3.49Å; F23-W26 PolarHBondContact O-N 2.94Å; K24-W26 VanDerWaalsContact C-N 3.3Å; K24-W26 PolarHBondContact O-N 3.44Å; W26-I29 PolarHBondContact O-N 2.74Å; W26-F30 HydrophobicContact CE3-CB 4.42Å; W26-F30 HydrophobicContact CH2-CB 4.45Å; W26-F30 AromaticContact CH2-CD2 3.98Å; W26-F30 HydrophobicContact CH2-CD2 3.98Å; W26-F30 HydrophobicContact CH2-CE2 4.48Å; W26-F30 HydrophobicContact CH2-CG 4.14Å; W26-F30 HydrophobicContact CZ2-CD2 4.15Å; W26-F30 HydrophobicContact CZ3-CB 4.31Å; W26-F30 HydrophobicContact CZ3-CG 4.31Å; W26-F30 VanDerWaalsContact O-CB 3.25Å; W26-F30 WeakPolarHBondContact O-CB 3.48Å; W26-F30 PolarHBondContact O-N 2.9Å; W26-L59 HydrophobicContact CH2-CD1 4.2Å; W26-L59 HydrophobicContact CZ2-CD1 3.63Å; W26-L59 HydrophobicContact CZ2-CD2 3.96Å; W26-L59 HydrophobicContact CZ2-CG 4.47Å; W26-I63 HydrophobicContact CH2-CG1 4.14Å; W26-L67 HydrophobicContact CH2-CD1 4.38Å; W26-L67 HydrophobicContact CZ3-CD1 3.76Å
27L81.9Confident79.8Confident34 Ų3478.7 Ų78.718%0.17839%0.391CS..Hα-helixtrans-62.5-45.4176.9-90.2172.6000112.4F23 K24 I25 I29 F30 I31 L67F23-L27 HydrophobicContact CD1-CD1 4Å; F23-L27 HydrophobicContact CE1-CD1 3.34Å; F23-L27 HydrophobicContact CE1-CG 4.09Å; F23-L27 HydrophobicContact CE2-CD1 4.42Å; F23-L27 HydrophobicContact CE2-CG 4.31Å; F23-L27 HydrophobicContact CZ-CD1 3.54Å; F23-L27 HydrophobicContact CZ-CD2 4.41Å; F23-L27 HydrophobicContact CZ-CG 3.83Å; F23-L27 WeakPolarHBondContact O-CB 3.42Å; F23-L27 PolarHBondContact O-N 2.88Å; K24-L27 WeakPolarHBondContact O-CB 3.45Å; K24-L27 PolarHBondContact O-N 2.92Å; I25-L27 VanDerWaalsContact C-N 3.33Å; I25-L27 PolarHBondContact O-N 2.96Å; L27-I29 VanDerWaalsContact C-N 3.31Å; L27-I29 PolarHBondContact O-N 3.2Å; L27-F30 PolarHBondContact O-N 2.9Å; L27-I31 WeakPolarHBondContact O-CB 3.12Å; L27-I31 VanDerWaalsContact O-CG1 3.25Å; L27-I31 WeakPolarHBondContact O-CG1 3.35Å; L27-I31 PolarHBondContact O-N 3.4Å; L27-L67 HydrophobicContact CD2-CD1 3.96Å
28E84.7Confident78.8Confident113 Ų11373.7 Ų73.753%0.52837%0.37SS..Hα-helixtrans-60.2-43.7177.6-74.5175.5-175.900111.3K24 I25 S32K24-E28 WeakPolarHBondContact CE-OE1 3.42Å; K24-E28 WeakPolarHBondContact O-CG 3.19Å; K24-E28 PolarHBondContact O-N 3.28Å; I25-E28 PolarHBondContact O-N 2.87Å; E28-S32 WeakPolarHBondContact O-CB 3.29Å; E28-S32 PolarHBondContact O-N 3.41Å
29I83.1Confident78.1Confident25 Ų2566.3 Ų66.313%0.12835%0.346CS..Hα-helixtrans-66.6-43.5176.8-66.2168.2000110.9A2 R6 L7 V10 I25 W26 L27 S32 S33A2-I29 HydrophobicContact CB-CG2 3.49Å; A2-I29 VanDerWaalsContact CB-CG2 3.49Å; R6-I29 HydrophobicContact CG-CD1 3.92Å; L7-I29 HydrophobicContact CB-CG2 4.3Å; L7-I29 HydrophobicContact CD1-CG2 4.18Å; L7-I29 HydrophobicContact CG-CG2 4.5Å; V10-I29 HydrophobicContact CG2-CD1 4.2Å; I25-I29 HydrophobicContact CG2-CD1 3.7Å; I25-I29 HydrophobicContact CG2-CG1 4.44Å; I25-I29 WeakPolarHBondContact O-CB 3.46Å; I25-I29 WeakPolarHBondContact O-CD1 3.4Å; I25-I29 WeakPolarHBondContact O-CG1 3.32Å; I25-I29 PolarHBondContact O-N 2.92Å; W26-I29 PolarHBondContact O-N 2.74Å; L27-I29 VanDerWaalsContact C-N 3.31Å; L27-I29 PolarHBondContact O-N 3.2Å; I29-S32 PolarHBondContact O-N 3.12Å; I29-S33 VanDerWaalsContact O-CB 3.27Å; I29-S33 WeakPolarHBondContact O-CB 3.39Å; I29-S33 PolarHBondContact O-N 2.92Å; I29-S33 PolarHBondContact O-OG 3.2Å; I29-S33 VanDerWaalsContact O-OG 3.12Å
30F80.1Confident77Confident2 Ų267.4 Ų67.41%0.00936%0.355CS..Hα-helixtrans-61.5-51.2178.1-179.7-92.5000111L7 W26 L27 S32 S33 Y34 L38 L56 L59 I63 L64L7-F30 HydrophobicContact CD1-CB 3.94Å; L7-F30 HydrophobicContact CD1-CD2 3.98Å; L7-F30 HydrophobicContact CD1-CG 4.46Å; W26-F30 HydrophobicContact CE3-CB 4.42Å; W26-F30 HydrophobicContact CH2-CB 4.45Å; W26-F30 AromaticContact CH2-CD2 3.98Å; W26-F30 HydrophobicContact CH2-CD2 3.98Å; W26-F30 HydrophobicContact CH2-CE2 4.48Å; W26-F30 HydrophobicContact CH2-CG 4.14Å; W26-F30 HydrophobicContact CZ2-CD2 4.15Å; W26-F30 HydrophobicContact CZ3-CB 4.31Å; W26-F30 HydrophobicContact CZ3-CG 4.31Å; W26-F30 VanDerWaalsContact O-CB 3.25Å; W26-F30 WeakPolarHBondContact O-CB 3.48Å; W26-F30 PolarHBondContact O-N 2.9Å; L27-F30 PolarHBondContact O-N 2.9Å; F30-S32 VanDerWaalsContact C-N 3.35Å; F30-S32 PolarHBondContact O-N 3.19Å; F30-S33 PolarHBondContact O-N 3.18Å; F30-Y34 HydrophobicContact CD1-CD2 4.44Å; F30-Y34 AromaticContact CD2-CD2 3.6Å; F30-Y34 HydrophobicContact CD2-CD2 3.6Å; F30-Y34 AromaticContact CD2-CE2 3.58Å; F30-Y34 HydrophobicContact CD2-CE2 3.58Å; F30-Y34 HydrophobicContact CE1-CD2 4.42Å; F30-Y34 AromaticContact CE2-CD2 3.57Å; F30-Y34 HydrophobicContact CE2-CD2 3.57Å; F30-Y34 AromaticContact CE2-CE2 3.58Å; F30-Y34 HydrophobicContact CE2-CE2 3.58Å; F30-Y34 HydrophobicContact CG-CD2 4.04Å; F30-Y34 HydrophobicContact CG-CE2 4.4Å; F30-Y34 HydrophobicContact CZ-CD2 4.01Å; F30-Y34 HydrophobicContact CZ-CE2 4.42Å; F30-Y34 WeakPolarHBondContact O-CD2 3.41Å; F30-Y34 PolarHBondContact O-N 3.14Å; F30-L38 HydrophobicContact CD1-CD1 3.83Å; F30-L38 HydrophobicContact CE1-CD1 3.45Å; F30-L38 VanDerWaalsContact CE1-CD1 3.45Å; F30-L38 HydrophobicContact CE1-CD2 4.09Å; F30-L38 HydrophobicContact CE1-CG 4.36Å; F30-L38 HydrophobicContact CZ-CD1 4.28Å; F30-L38 HydrophobicContact CZ-CD2 4.29Å; F30-L56 HydrophobicContact CE2-CD2 3.88Å; F30-L56 HydrophobicContact CZ-CD2 4.12Å; F30-L59 HydrophobicContact CD2-CD1 3.83Å; F30-L59 HydrophobicContact CE2-CD1 3.59Å; F30-I63 HydrophobicContact CZ-CG2 4.36Å; F30-L64 HydrophobicContact CD1-CD2 4.2Å; F30-L64 HydrophobicContact CE1-CD1 3.99Å; F30-L64 HydrophobicContact CE1-CD2 3.61Å; F30-L64 HydrophobicContact CE1-CG 3.8Å; F30-L64 HydrophobicContact CZ-CD2 4.5Å; F30-L64 HydrophobicContact CZ-CG 4.3Å
31I77.3Confident76.2Confident70 Ų7068.8 Ų68.836%0.35936%0.357SS..Hα-helixtrans-61.2-44.7179.8-66.5164.7000110.5L27 Y34 E35L27-I31 WeakPolarHBondContact O-CB 3.12Å; L27-I31 VanDerWaalsContact O-CG1 3.25Å; L27-I31 WeakPolarHBondContact O-CG1 3.35Å; L27-I31 PolarHBondContact O-N 3.4Å; I31-Y34 CarbonylContact O-C 3.52Å; I31-Y34 PolarHBondContact O-N 2.93Å; I31-E35 VanDerWaalsContact O-CA 3.24Å; I31-E35 WeakPolarHBondContact O-CA 3.47Å; I31-E35 WeakPolarHBondContact O-CB 3.3Å; I31-E35 PolarHBondContact O-N 3.23Å
32S78.3Confident75Confident73 Ų7368 Ų6851%0.5135%0.349SS..Hα-helixtrans-67.3-37.1178.5-177.40000113E28 I29 F30 Y34E28-S32 WeakPolarHBondContact O-CB 3.29Å; E28-S32 PolarHBondContact O-N 3.41Å; I29-S32 PolarHBondContact O-N 3.12Å; F30-S32 VanDerWaalsContact C-N 3.35Å; F30-S32 PolarHBondContact O-N 3.19Å; S32-Y34 VanDerWaalsContact C-N 3.3Å; S32-Y34 PolarHBondContact O-N 3.31Å
33S74.4Confident73.7Confident48 Ų4873.1 Ų73.134%0.33638%0.375SS..Hα-helixtrans-71.3-26.9178.8-74.10000113I29 F30I29-S33 VanDerWaalsContact O-CB 3.27Å; I29-S33 WeakPolarHBondContact O-CB 3.39Å; I29-S33 PolarHBondContact O-N 2.92Å; I29-S33 PolarHBondContact O-OG 3.2Å; I29-S33 VanDerWaalsContact O-OG 3.12Å; F30-S33 PolarHBondContact O-N 3.18Å
34Y71.6Confident72.5Confident15 Ų1578.9 Ų78.96%0.05940%0.4CS..Hα-helixtrans-11814.9-176.5-58.2-74.3000113.1L7 F30 I31 S32 Q36 C37 L38 V55 L56L7-Y34 HydrophobicContact CD1-CE2 4.26Å; F30-Y34 HydrophobicContact CD1-CD2 4.44Å; F30-Y34 AromaticContact CD2-CD2 3.6Å; F30-Y34 HydrophobicContact CD2-CD2 3.6Å; F30-Y34 AromaticContact CD2-CE2 3.58Å; F30-Y34 HydrophobicContact CD2-CE2 3.58Å; F30-Y34 HydrophobicContact CE1-CD2 4.42Å; F30-Y34 AromaticContact CE2-CD2 3.57Å; F30-Y34 HydrophobicContact CE2-CD2 3.57Å; F30-Y34 AromaticContact CE2-CE2 3.58Å; F30-Y34 HydrophobicContact CE2-CE2 3.58Å; F30-Y34 HydrophobicContact CG-CD2 4.04Å; F30-Y34 HydrophobicContact CG-CE2 4.4Å; F30-Y34 HydrophobicContact CZ-CD2 4.01Å; F30-Y34 HydrophobicContact CZ-CE2 4.42Å; F30-Y34 WeakPolarHBondContact O-CD2 3.41Å; F30-Y34 PolarHBondContact O-N 3.14Å; I31-Y34 CarbonylContact O-C 3.52Å; I31-Y34 PolarHBondContact O-N 2.93Å; S32-Y34 VanDerWaalsContact C-N 3.3Å; S32-Y34 PolarHBondContact O-N 3.31Å; Y34-Q36 PolarHBondContact O-N 2.74Å; Y34-C37 CarbonylContact O-C 3.53Å; Y34-C37 PolarHBondContact O-N 3.32Å; Y34-L38 VanDerWaalsContact CB-CG 3.49Å; Y34-L38 WeakPolarHBondContact O-CB 3.41Å; Y34-L38 VanDerWaalsContact O-CG 3.3Å; Y34-L38 WeakPolarHBondContact O-CG 3.47Å; Y34-L38 PolarHBondContact O-N 2.89Å; Y34-V55 PolarHBondContact OH-O 2.98Å; Y34-L56 HydrophobicContact CD1-CD1 4.26Å; Y34-L56 HydrophobicContact CD1-CD2 3.88Å; Y34-L56 HydrophobicContact CD1-CG 3.85Å; Y34-L56 HydrophobicContact CD2-CD2 4.07Å; Y34-L56 HydrophobicContact CE1-CD1 4.38Å; Y34-L56 HydrophobicContact CE1-CD2 3.52Å; Y34-L56 HydrophobicContact CE1-CG 3.49Å; Y34-L56 VanDerWaalsContact CE1-CG 3.49Å; Y34-L56 HydrophobicContact CE2-CD2 3.76Å; Y34-L56 HydrophobicContact CG-CD2 4.15Å; Y34-L56 VanDerWaalsContact CZ-CD2 3.46Å
35E69.4Low71.1Confident130 Ų13077.9 Ų77.961%0.60741%0.406SS*.THydrogen-bonded Turntrans-53.6-31.2-17665.5179.7104.400113.4I31I31-E35 VanDerWaalsContact O-CA 3.24Å; I31-E35 WeakPolarHBondContact O-CA 3.47Å; I31-E35 WeakPolarHBondContact O-CB 3.3Å; I31-E35 PolarHBondContact O-N 3.23Å
36Q64Low69.5Low189 Ų18981 Ų8188%0.88343%0.431SS*.THydrogen-bonded Turntrans-80.9-17.8-179.6-53.7-167.3-78.300113.1Y34Y34-Q36 PolarHBondContact O-N 2.74Å
37C63.3Low67.8Low82 Ų8285.5 Ų85.555%0.55446%0.462SS*.THydrogen-bonded Turntrans-113.1-21.4-176.8-57.70000112.9Y34Y34-C37 CarbonylContact O-C 3.53Å; Y34-C37 PolarHBondContact O-N 3.32Å
38L64.9Low66.4Low25 Ų2594.4 Ų94.413%0.13149%0.494CS..  trans-86.2116.8179.8-67.2-179.6000110F30 Y34 V40 L64F30-L38 HydrophobicContact CD1-CD1 3.83Å; F30-L38 HydrophobicContact CE1-CD1 3.45Å; F30-L38 VanDerWaalsContact CE1-CD1 3.45Å; F30-L38 HydrophobicContact CE1-CD2 4.09Å; F30-L38 HydrophobicContact CE1-CG 4.36Å; F30-L38 HydrophobicContact CZ-CD1 4.28Å; F30-L38 HydrophobicContact CZ-CD2 4.29Å; Y34-L38 VanDerWaalsContact CB-CG 3.49Å; Y34-L38 WeakPolarHBondContact O-CB 3.41Å; Y34-L38 VanDerWaalsContact O-CG 3.3Å; Y34-L38 WeakPolarHBondContact O-CG 3.47Å; Y34-L38 PolarHBondContact O-N 2.89Å; L38-V40 VanDerWaalsContact C-N 3.29Å; L38-V40 HydrophobicContact CB-CG2 4.11Å; L38-V40 PolarHBondContact O-N 3.03Å; L38-V40 VanDerWaalsContact O-N 3.08Å; L38-L64 HydrophobicContact CD1-CD1 4.21Å; L38-L64 HydrophobicContact CD2-CD1 3.4Å; L38-L64 HydrophobicContact CG-CD1 4.27Å
39D66.6Low64.8Low55 Ų5594.6 Ų94.629%0.29451%0.505SS..  trans-79.284162.7-176.615.5000109.1D41 F42 E43 K44D39-D41 PolarHBondContact O-N 3.17Å; D39-F42 VanDerWaalsContact CG-CA 3.48Å; D39-F42 PolarHBondContact O-N 3.45Å; D39-F42 PolarHBondContact OD1-N 2.93Å; D39-F42 VanDerWaalsContact OD1-N 3.09Å; D39-F42 WeakPolarHBondContact OD2-CA 3.45Å; D39-E43 PolarHBondContact OD1-N 3.35Å; D39-E43 PolarHBondContact OD2-N 2.9Å; D39-K44 WeakPolarHBondContact OD2-CA 3.3Å; D39-K44 VanDerWaalsContact OD2-CB 3.3Å; D39-K44 WeakPolarHBondContact OD2-CB 3.49Å; D39-K44 PolarHBondContact OD2-N 3.47Å
40V61Low63.2Low81 Ų81100.6 Ų100.649%0.49154%0.537SS..THydrogen-bonded Turntrans-63.6-33-177.7-175.30000111.3L38 F42L38-V40 VanDerWaalsContact C-N 3.29Å; L38-V40 HydrophobicContact CB-CG2 4.11Å; L38-V40 PolarHBondContact O-N 3.03Å; L38-V40 VanDerWaalsContact O-N 3.08Å; V40-F42 VanDerWaalsContact C-N 3.33Å; V40-F42 WeakPolarHBondContact O-CD2 3.46Å
41D62.6Low61.6Low121 Ų121109.2 Ų109.265%0.64758%0.577SS**THydrogen-bonded Turntrans-86.2-6.7-179.6-60.9-63.4000112.5D39 E43D39-D41 PolarHBondContact O-N 3.17Å; D41-E43 HydrophobicContact CB-CB 4.5Å; D41-E43 HydrophobicContact CB-CG 3.82Å; D41-E43 PolarHBondContact O-N 2.83Å; D41-E43 VanDerWaalsContact O-N 3.14Å
42F62.5Low60.4Low88 Ų88111.1 Ų111.139%0.38659%0.592SS.*  trans51.628.6-176-59.5-94.8000112.7D39 V40D39-F42 VanDerWaalsContact CG-CA 3.48Å; D39-F42 PolarHBondContact O-N 3.45Å; D39-F42 PolarHBondContact OD1-N 2.93Å; D39-F42 VanDerWaalsContact OD1-N 3.09Å; D39-F42 WeakPolarHBondContact OD2-CA 3.45Å; V40-F42 VanDerWaalsContact C-N 3.33Å; V40-F42 WeakPolarHBondContact O-CD2 3.46Å
43E59.8Low59.1Low165 Ų165109.7 Ų109.777%0.77158%0.581SS**  trans-84.1-21.8-176.1-72.7-168.4103.300112.5D39 D41D39-E43 PolarHBondContact OD1-N 3.35Å; D39-E43 PolarHBondContact OD2-N 2.9Å; D41-E43 HydrophobicContact CB-CB 4.5Å; D41-E43 HydrophobicContact CB-CG 3.82Å; D41-E43 PolarHBondContact O-N 2.83Å; D41-E43 VanDerWaalsContact O-N 3.14Å
44K57.6Low57.9Low151 Ų151112.3 Ų112.366%0.65760%0.597SS**SBendtrans-89.7133.2177.5-110173.8179.1175.70110.1D39D39-K44 WeakPolarHBondContact OD2-CA 3.3Å; D39-K44 VanDerWaalsContact OD2-CB 3.3Å; D39-K44 WeakPolarHBondContact OD2-CB 3.49Å; D39-K44 PolarHBondContact OD2-N 3.47Å
45P55.3Low57Low101 Ų101114.4 Ų114.466%0.65661%0.611SS**  trans-57.7145.216724.9-31.6000109S47P45-S47 PolarHBondContact O-N 3.37Å
46P54.4Low56.2Low132 Ų132110.4 Ų110.486%0.85759%0.594SS**  trans-54.2107.5-175.119.7-30.7000109.5R48P46-R48 PolarHBondContact O-N 3.22Å
47S50.7Low55.7Low95 Ų95107 Ų10766%0.66459%0.586SS**  trans-58135.6179-41.30000108.1P45P45-S47 PolarHBondContact O-N 3.37Å
48R52.3Low55.4Low222 Ų222110.1 Ų110.184%0.83860%0.596SS**  trans-52.5139.3177.9-74.9-178.6172.9-176.8-2.3110P46 D50P46-R48 PolarHBondContact O-N 3.22Å; R48-D50 PolarHBondContact O-N 2.84Å
49P51.1Low55.2Low117 Ų117110.5 Ų110.576%0.7660%0.598SS**THydrogen-bonded Turntrans-70.724.5-168.830-37.1000115.3E51P49-E51 VanDerWaalsContact C-N 3.33Å; P49-E51 PolarHBondContact O-N 3.44Å
50D49.4Very low55Low151 Ų151111.3 Ų111.381%0.80761%0.607SS**THydrogen-bonded Turntrans-75.5-19-171.6-122.4-88.9000113.5R48R48-D50 PolarHBondContact O-N 2.84Å
51E48Very low55.1Low182 Ų182116 Ų11685%0.8563%0.628SS**SBendtrans-98.889.8163.2-82.8178.986.800108.1P49 P53P49-E51 VanDerWaalsContact C-N 3.33Å; P49-E51 PolarHBondContact O-N 3.44Å; E51-P53 WeakPolarHBondContact O-CD 3.26Å
52V50.8Low55.3Low110 Ų110114 Ų11467%0.66762%0.618SS**  trans-50.4113167.6178.40000106.9
53P50.7Low55.9Low44 Ų44110.9 Ų110.929%0.28661%0.605SS.*  trans-63.6130.2-177.8-13.925.7000107.1E51 V55 L56E51-P53 WeakPolarHBondContact O-CD 3.26Å; P53-V55 PolarHBondContact O-N 3.35Å; P53-L56 HydrophobicContact CB-CB 3.94Å; P53-L56 HydrophobicContact CB-CD1 3.55Å; P53-L56 HydrophobicContact CB-CG 3.85Å; P53-L56 HydrophobicContact CG-CB 4.19Å; P53-L56 HydrophobicContact CG-CD1 3.64Å; P53-L56 HydrophobicContact CG-CG 4.31Å
54P50.5Low56.5Low103 Ų103105.3 Ų105.367%0.66958%0.58SS**THydrogen-bonded Turntrans-59.2113.1177.20.75.6000107.5
55V52.6Low57Low59 Ų59104.2 Ų104.236%0.35858%0.578SS.*THydrogen-bonded Turntrans80.86.5168.5-160.50000117.5N4 Y34 P53 T57N4-V55 HydrophobicContact CB-CG1 4.15Å; N4-V55 VanDerWaalsContact CG-CG1 3.49Å; Y34-V55 PolarHBondContact OH-O 2.98Å; P53-V55 PolarHBondContact O-N 3.35Å; V55-T57 PolarHBondContact O-N 3.48Å; V55-T57 VanDerWaalsContact O-N 3.17Å
56L52.3Low58Low46 Ų46102.7 Ų102.724%0.24157%0.566CS.*G310 helixtrans-68.6-9.4169.2-82.1179.4000113.9F30 Y34 P53 L58 L59F30-L56 HydrophobicContact CE2-CD2 3.88Å; F30-L56 HydrophobicContact CZ-CD2 4.12Å; Y34-L56 HydrophobicContact CD1-CD1 4.26Å; Y34-L56 HydrophobicContact CD1-CD2 3.88Å; Y34-L56 HydrophobicContact CD1-CG 3.85Å; Y34-L56 HydrophobicContact CD2-CD2 4.07Å; Y34-L56 HydrophobicContact CE1-CD1 4.38Å; Y34-L56 HydrophobicContact CE1-CD2 3.52Å; Y34-L56 HydrophobicContact CE1-CG 3.49Å; Y34-L56 VanDerWaalsContact CE1-CG 3.49Å; Y34-L56 HydrophobicContact CE2-CD2 3.76Å; Y34-L56 HydrophobicContact CG-CD2 4.15Å; Y34-L56 VanDerWaalsContact CZ-CD2 3.46Å; P53-L56 HydrophobicContact CB-CB 3.94Å; P53-L56 HydrophobicContact CB-CD1 3.55Å; P53-L56 HydrophobicContact CB-CG 3.85Å; P53-L56 HydrophobicContact CG-CB 4.19Å; P53-L56 HydrophobicContact CG-CD1 3.64Å; P53-L56 HydrophobicContact CG-CG 4.31Å; L56-L58 PolarHBondContact O-N 3.33Å; L56-L59 PolarHBondContact O-N 3.5Å
57T52.4Low59Low117 Ų11796.9 Ų96.972%0.71853%0.528SS*.G310 helixtrans-63.9-6.1-175.751.20000115.7V55V55-T57 PolarHBondContact O-N 3.48Å; V55-T57 VanDerWaalsContact O-N 3.17Å
58L57.8Low60.3Low148 Ų14898.6 Ų98.678%0.77552%0.52SS*.G310 helixtrans-100-14.4-179.8-64.7174.1000113.9L56L56-L58 PolarHBondContact O-N 3.33Å
59L60.8Low61.4Low33 Ų3393.4 Ų93.417%0.17351%0.505CS..SBendtrans-111.2145178-68.8168.1000109.9L7 W26 F30 L56 D61 I63L7-L59 HydrophobicContact CD2-CD1 3.96Å; W26-L59 HydrophobicContact CH2-CD1 4.2Å; W26-L59 HydrophobicContact CZ2-CD1 3.63Å; W26-L59 HydrophobicContact CZ2-CD2 3.96Å; W26-L59 HydrophobicContact CZ2-CG 4.47Å; F30-L59 HydrophobicContact CD2-CD1 3.83Å; F30-L59 HydrophobicContact CE2-CD1 3.59Å; L56-L59 PolarHBondContact O-N 3.5Å; L59-D61 PolarHBondContact O-N 2.74Å; L59-I63 HydrophobicContact CB-CG2 4.43Å
60P61.9Low62.5Low72 Ų7292.8 Ų92.847%0.46849%0.492SS..  trans-56.6135.4176.1-22.732.7000111.1N62 I63P60-N62 VanDerWaalsContact CB-OD1 3.24Å; P60-N62 WeakPolarHBondContact CB-OD1 3.21Å; P60-N62 PolarHBondContact O-N 3.04Å; P60-I63 WeakPolarHBondContact O-CB 3.46Å; P60-I63 WeakPolarHBondContact O-CG2 3.34Å; P60-I63 PolarHBondContact O-N 3.22Å
61D64.3Low63.9Low178 Ų17890.1 Ų90.195%0.95248%0.477SS*.THydrogen-bonded Turntrans-53.8-24.7-178.8-59.8-91.5000113.4L59L59-D61 PolarHBondContact O-N 2.74Å
62N66.2Low65.3Low79 Ų7986.1 Ų86.142%0.42246%0.461SS..THydrogen-bonded Turntrans-98.97.6-177.564.7-8000114P60 L64 Q65 V66P60-N62 VanDerWaalsContact CB-OD1 3.24Å; P60-N62 WeakPolarHBondContact CB-OD1 3.21Å; P60-N62 PolarHBondContact O-N 3.04Å; N62-L64 VanDerWaalsContact C-N 3.26Å; N62-L64 PolarHBondContact O-N 3.09Å; N62-Q65 WeakPolarHBondContact O-CA 3.3Å; N62-Q65 WeakPolarHBondContact O-CB 3.37Å; N62-Q65 PolarHBondContact O-N 3.2Å; N62-V66 WeakPolarHBondContact O-CG2 3.25Å; N62-V66 PolarHBondContact O-N 3.08Å
63I74.2Confident66.5Low24 Ų2484.9 Ų84.912%0.12345%0.448CS..Hα-helixtrans-55.9-41.9-174.2-168.960.9000111.8W26 F30 L59 P60 Q65 V66 L67W26-I63 HydrophobicContact CH2-CG1 4.14Å; F30-I63 HydrophobicContact CZ-CG2 4.36Å; L59-I63 HydrophobicContact CB-CG2 4.43Å; P60-I63 WeakPolarHBondContact O-CB 3.46Å; P60-I63 WeakPolarHBondContact O-CG2 3.34Å; P60-I63 PolarHBondContact O-N 3.22Å; I63-Q65 PolarHBondContact O-N 3.4Å; I63-V66 PolarHBondContact O-N 2.94Å; I63-L67 HydrophobicContact CD1-CG 4.38Å; I63-L67 HydrophobicContact CG1-CD1 4.04Å; I63-L67 HydrophobicContact CG1-CG 4.33Å; I63-L67 WeakPolarHBondContact O-CB 3.45Å; I63-L67 WeakPolarHBondContact O-CG 3.23Å; I63-L67 PolarHBondContact O-N 3.44Å
64L72.5Confident67.8Low47 Ų4785.9 Ų85.925%0.24646%0.455CS..Hα-helixtrans-64.5-38176.4-76.1-178.5000113.3F30 L38 N62 R68F30-L64 HydrophobicContact CD1-CD2 4.2Å; F30-L64 HydrophobicContact CE1-CD1 3.99Å; F30-L64 HydrophobicContact CE1-CD2 3.61Å; F30-L64 HydrophobicContact CE1-CG 3.8Å; F30-L64 HydrophobicContact CZ-CD2 4.5Å; F30-L64 HydrophobicContact CZ-CG 4.3Å; L38-L64 HydrophobicContact CD1-CD1 4.21Å; L38-L64 HydrophobicContact CD2-CD1 3.4Å; L38-L64 HydrophobicContact CG-CD1 4.27Å; N62-L64 VanDerWaalsContact C-N 3.26Å; N62-L64 PolarHBondContact O-N 3.09Å; L64-R68 VanDerWaalsContact O-CB 3.29Å; L64-R68 WeakPolarHBondContact O-CB 3.18Å; L64-R68 PolarHBondContact O-N 3.5Å
65Q68.3Low69Low129 Ų12985.4 Ų85.460%0.60345%0.45SS*.Hα-helixtrans-66.1-43.5175.9-69.1-178.2-9.500111.1N62 I63 R68 H69N62-Q65 WeakPolarHBondContact O-CA 3.3Å; N62-Q65 WeakPolarHBondContact O-CB 3.37Å; N62-Q65 PolarHBondContact O-N 3.2Å; I63-Q65 PolarHBondContact O-N 3.4Å; Q65-R68 PolarHBondContact O-N 2.97Å; Q65-H69 WeakPolarHBondContact O-CB 3.17Å; Q65-H69 PolarHBondContact O-N 3.43Å
66V76.8Confident69.9Low68 Ų6889 Ų8941%0.41246%0.463SS..Hα-helixtrans-61.8-47176.6174.50000110.4N62 I63 H69 Q70N62-V66 WeakPolarHBondContact O-CG2 3.25Å; N62-V66 PolarHBondContact O-N 3.08Å; I63-V66 PolarHBondContact O-N 2.94Å; V66-H69 PolarHBondContact O-N 2.91Å; V66-Q70 WeakPolarHBondContact O-CB 3.41Å; V66-Q70 PolarHBondContact O-N 2.76Å
67L76.3Confident70.5Confident11 Ų1191.8 Ų91.86%0.05847%0.473CS..Hα-helixtrans-64.4-42.8179.7-69.1178000112.3F23 W26 L27 I63 H69 Q70 L71F23-L67 HydrophobicContact CE1-CD2 4.24Å; F23-L67 HydrophobicContact CE2-CD1 4.07Å; F23-L67 HydrophobicContact CE2-CD2 3.68Å; F23-L67 HydrophobicContact CE2-CG 4.49Å; F23-L67 HydrophobicContact CZ-CD1 3.74Å; F23-L67 HydrophobicContact CZ-CD2 3.22Å; F23-L67 HydrophobicContact CZ-CG 4Å; W26-L67 HydrophobicContact CH2-CD1 4.38Å; W26-L67 HydrophobicContact CZ3-CD1 3.76Å; L27-L67 HydrophobicContact CD2-CD1 3.96Å; I63-L67 HydrophobicContact CD1-CG 4.38Å; I63-L67 HydrophobicContact CG1-CD1 4.04Å; I63-L67 HydrophobicContact CG1-CG 4.33Å; I63-L67 WeakPolarHBondContact O-CB 3.45Å; I63-L67 WeakPolarHBondContact O-CG 3.23Å; I63-L67 PolarHBondContact O-N 3.44Å; L67-H69 VanDerWaalsContact C-N 3.34Å; L67-H69 PolarHBondContact O-N 3.42Å; L67-Q70 PolarHBondContact O-N 3.01Å; L67-L71 WeakPolarHBondContact O-CB 3.03Å; L67-L71 VanDerWaalsContact O-CG 3.28Å; L67-L71 WeakPolarHBondContact O-CG 3.3Å; L67-L71 PolarHBondContact O-N 3.17Å
68R76.5Confident71.1Confident130 Ų13092 Ų9249%0.49147%0.474SS..Hα-helixtrans-58.3-47.5173.5-179.2-179179.4173.51.4111.1L64 Q65 L71 L72L64-R68 VanDerWaalsContact O-CB 3.29Å; L64-R68 WeakPolarHBondContact O-CB 3.18Å; L64-R68 PolarHBondContact O-N 3.5Å; Q65-R68 PolarHBondContact O-N 2.97Å; R68-L71 PolarHBondContact O-N 3.28Å; R68-L72 HydrophobicContact CG-CD1 4.1Å; R68-L72 WeakPolarHBondContact O-CB 3.42Å; R68-L72 VanDerWaalsContact O-CG 3.3Å; R68-L72 WeakPolarHBondContact O-CG 3.25Å; R68-L72 PolarHBondContact O-N 3.23Å
69H75.1Confident71.5Confident114 Ų11489.7 Ų89.753%0.52847%0.471SS..Hα-helixtrans-63.7-43.8179.3-164.881.7000111.3Q65 V66 L67 L71 L72 Q73Q65-H69 WeakPolarHBondContact O-CB 3.17Å; Q65-H69 PolarHBondContact O-N 3.43Å; V66-H69 PolarHBondContact O-N 2.91Å; L67-H69 VanDerWaalsContact C-N 3.34Å; L67-H69 PolarHBondContact O-N 3.42Å; H69-L71 PolarHBondContact O-N 3.26Å; H69-L72 PolarHBondContact O-N 2.8Å; H69-Q73 PolarHBondContact NE2-NE2 2.82Å; H69-Q73 VanDerWaalsContact NE2-NE2 3.12Å; H69-Q73 WeakPolarHBondContact O-CB 3.47Å; H69-Q73 WeakPolarHBondContact O-CG 3.21Å; H69-Q73 PolarHBondContact O-N 3.05Å
70Q75.4Confident71.4Confident104 Ų10493.7 Ų93.749%0.48649%0.492SS..Hα-helixtrans-65.1-40.2179.6-164173.819.800112.1V66 L67 Q73 C74V66-Q70 WeakPolarHBondContact O-CB 3.41Å; V66-Q70 PolarHBondContact O-N 2.76Å; L67-Q70 PolarHBondContact O-N 3.01Å; Q70-Q73 PolarHBondContact O-N 2.85Å; Q70-C74 WeakPolarHBondContact O-CB 3.25Å; Q70-C74 PolarHBondContact O-N 2.84Å; Q70-C74 PolarHBondContact O-SG 3.44Å
71L78.9Confident71.2Confident95 Ų9593.7 Ų93.750%0.49751%0.505SS..Hα-helixtrans-64.9-44174.1-74.1168.7000111.8L67 R68 H69 Q73 C74 V75L67-L71 WeakPolarHBondContact O-CB 3.03Å; L67-L71 VanDerWaalsContact O-CG 3.28Å; L67-L71 WeakPolarHBondContact O-CG 3.3Å; L67-L71 PolarHBondContact O-N 3.17Å; R68-L71 PolarHBondContact O-N 3.28Å; H69-L71 PolarHBondContact O-N 3.26Å; L71-Q73 VanDerWaalsContact C-N 3.33Å; L71-Q73 PolarHBondContact O-N 3.03Å; L71-C74 PolarHBondContact O-N 3.12Å; L71-V75 WeakPolarHBondContact O-CG2 3.27Å; L71-V75 PolarHBondContact O-N 3.4Å
72L77.2Confident70.4Confident98 Ų9891 Ų9151%0.51349%0.49SS..Hα-helixtrans-60.4-44.3174.9-75.4170.4000111.3R68 H69 C74 V75 Q76R68-L72 HydrophobicContact CG-CD1 4.1Å; R68-L72 WeakPolarHBondContact O-CB 3.42Å; R68-L72 VanDerWaalsContact O-CG 3.3Å; R68-L72 WeakPolarHBondContact O-CG 3.25Å; R68-L72 PolarHBondContact O-N 3.23Å; H69-L72 PolarHBondContact O-N 2.8Å; L72-C74 PolarHBondContact O-N 2.88Å; L72-V75 PolarHBondContact O-N 3.27Å; L72-Q76 WeakPolarHBondContact O-CB 3.24Å; L72-Q76 PolarHBondContact O-N 3.42Å
73Q75.1Confident69.8Low83 Ų8393.8 Ų93.839%0.38850%0.5SS..Hα-helixtrans-61.5-42.4174.9-71.1-72.5-6.800111.8H69 Q70 L71 Q76 K77H69-Q73 PolarHBondContact NE2-NE2 2.82Å; H69-Q73 VanDerWaalsContact NE2-NE2 3.12Å; H69-Q73 WeakPolarHBondContact O-CB 3.47Å; H69-Q73 WeakPolarHBondContact O-CG 3.21Å; H69-Q73 PolarHBondContact O-N 3.05Å; Q70-Q73 PolarHBondContact O-N 2.85Å; L71-Q73 VanDerWaalsContact C-N 3.33Å; L71-Q73 PolarHBondContact O-N 3.03Å; Q73-Q76 PolarHBondContact O-N 3.28Å; Q73-K77 WeakPolarHBondContact O-CB 3.33Å; Q73-K77 VanDerWaalsContact O-CG 3.27Å; Q73-K77 WeakPolarHBondContact O-CG 3.38Å; Q73-K77 PolarHBondContact O-N 3.02Å
74C77.9Confident68.7Low66 Ų6698.2 Ų98.245%0.44653%0.531SS..Hα-helixtrans-61.2-46.7174.6-74.40000111.8Q70 L71 L72 Q76 K77 V78Q70-C74 WeakPolarHBondContact O-CB 3.25Å; Q70-C74 PolarHBondContact O-N 2.84Å; Q70-C74 PolarHBondContact O-SG 3.44Å; L71-C74 PolarHBondContact O-N 3.12Å; L72-C74 PolarHBondContact O-N 2.88Å; C74-Q76 VanDerWaalsContact C-N 3.29Å; C74-Q76 PolarHBondContact O-N 3.5Å; C74-K77 PolarHBondContact O-N 3.38Å; C74-V78 WeakPolarHBondContact O-CB 3.47Å; C74-V78 WeakPolarHBondContact O-CG2 3.34Å; C74-V78 PolarHBondContact O-N 2.81Å
75V76.4Confident67.3Low92 Ų92102.6 Ų102.656%0.55855%0.55SS**Hα-helixtrans-63-38.1177.5173.20000111.3L71 L72 S79L71-V75 WeakPolarHBondContact O-CG2 3.27Å; L71-V75 PolarHBondContact O-N 3.4Å; L72-V75 PolarHBondContact O-N 3.27Å; V75-S79 WeakPolarHBondContact O-CB 3.31Å; V75-S79 PolarHBondContact O-N 3.46Å; V75-S79 PolarHBondContact O-OG 3.28Å
76Q70.6Confident66.8Low135 Ų135105.7 Ų105.763%0.63157%0.565SS**Hα-helixtrans-65.5-47.7176.7-159.4105.951.900111.3L72 Q73 C74 V78 S79 D80L72-Q76 WeakPolarHBondContact O-CB 3.24Å; L72-Q76 PolarHBondContact O-N 3.42Å; Q73-Q76 PolarHBondContact O-N 3.28Å; C74-Q76 VanDerWaalsContact C-N 3.29Å; C74-Q76 PolarHBondContact O-N 3.5Å; Q76-V78 VanDerWaalsContact C-N 3.35Å; Q76-V78 PolarHBondContact O-N 2.88Å; Q76-S79 PolarHBondContact O-N 3.01Å; Q76-D80 WeakPolarHBondContact O-CB 3.41Å; Q76-D80 PolarHBondContact O-N 3.38Å
77K66.3Low65.1Low105 Ų105109.3 Ų109.346%0.45758%0.577SS.*Hα-helixtrans-60.9-41.1176.4-74.2179.1177.3-166.30112.7Q73 C74 G81Q73-K77 WeakPolarHBondContact O-CB 3.33Å; Q73-K77 VanDerWaalsContact O-CG 3.27Å; Q73-K77 WeakPolarHBondContact O-CG 3.38Å; Q73-K77 PolarHBondContact O-N 3.02Å; C74-K77 PolarHBondContact O-N 3.38Å; K77-G81 PolarHBondContact O-N 3.01Å
78V65.1Low63.8Low120 Ų120115.8 Ų115.873%0.72761%0.612SS**Hα-helixtrans-70.2-36177.4175.50000111.5C74 Q76C74-V78 WeakPolarHBondContact O-CB 3.47Å; C74-V78 WeakPolarHBondContact O-CG2 3.34Å; C74-V78 PolarHBondContact O-N 2.81Å; Q76-V78 VanDerWaalsContact C-N 3.35Å; Q76-V78 PolarHBondContact O-N 2.88Å
79S64.9Low62.1Low101 Ų101117.3 Ų117.371%0.70663%0.629SS**Hα-helixtrans-73.2-32.5176.3-77.30000113.9V75 Q76 G81V75-S79 WeakPolarHBondContact O-CB 3.31Å; V75-S79 PolarHBondContact O-N 3.46Å; V75-S79 PolarHBondContact O-OG 3.28Å; Q76-S79 PolarHBondContact O-N 3.01Å; S79-G81 VanDerWaalsContact C-N 3.26Å; S79-G81 PolarHBondContact O-N 2.82Å
80D60Low60.3Low116 Ų116119.5 Ų119.562%0.6267%0.667SS**Hα-helixtrans-78.9-10-178.6-155.3-113.1000112.7Q76 L82Q76-D80 WeakPolarHBondContact O-CB 3.41Å; Q76-D80 PolarHBondContact O-N 3.38Å; D80-L82 HydrophobicContact CB-CB 4.48Å; D80-L82 PolarHBondContact O-N 2.86Å
81G56.6Low59.6Low72 Ų72120.3 Ų120.374%0.74268%0.676SS**THydrogen-bonded Turntrans63.323.7-179.600000113.5K77 S79K77-G81 PolarHBondContact O-N 3.01Å; S79-G81 VanDerWaalsContact C-N 3.26Å; S79-G81 PolarHBondContact O-N 2.82Å
82L47.6Very low58.5Low122 Ų122121.6 Ų121.664%0.63969%0.685SS**  trans-121.785.1-172.2-147.998.4000110.5D80D80-L82 HydrophobicContact CB-CB 4.48Å; D80-L82 PolarHBondContact O-N 2.86Å
83E53.2Low57.5Low137 Ų137122.9 Ų122.964%0.6470%0.695SS**  trans-97.2139.8149.1-70-70.7116.600106.1
84P51.2Low56.5Low118 Ų118125.3 Ų125.377%0.76671%0.713SS**  cis-137.3158.939.937.9-20.2000114.5
85E44Very low55.1Low138 Ų138129 Ų12965%0.64573%0.73SS**  -161.5117.2118.8-157.5160.581.500111.3Q87E85-Q87 HydrophobicContact CG-CG 4.04Å; E85-Q87 PolarHBondContact O-N 3.47Å; E85-Q87 PolarHBondContact OE1-NE2 3.4Å
86Q56.7Low53.7Low194 Ų194131.5 Ų131.591%0.90774%0.741SS**  trans-56.1100.7155.4-69.4170.3-105.200109.1
87Q41.5Very low52.5Low144 Ų144131.2 Ų131.267%0.67375%0.749SS**  trans-108.388160.6-72.1-169.6-8.300109.7E85 L89E85-Q87 HydrophobicContact CG-CG 4.04Å; E85-Q87 PolarHBondContact O-N 3.47Å; E85-Q87 PolarHBondContact OE1-NE2 3.4Å; Q87-L89 PolarHBondContact O-N 3.27Å
88N50.4Low51.4Low147 Ų147133.2 Ų133.279%0.78677%0.771SS**  trans-7.5119.1136.7-143.8-42.4000113.2
89L40.5Very low50.3Low163 Ų163134.3 Ų134.385%0.85378%0.775SS**  trans-135.8116.5149.4-103111.2000108.9Q87Q87-L89 PolarHBondContact O-N 3.27Å
90A36.9Very low49Very low160 Ų160137.4 Ų137.4100%1.32278%0.781SS**  trans-59.80166.900000112.2

Retrieved 90 of 90 residues in 73.6 ms (Link to these results)